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Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate
TL;DR: Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate (CAS 159657-36-0) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate
Also Known As: ChemDiv2_000102, ETHYL 4-(3-ETHOXY-3-OXOPROPANAMIDO)BENZOATE, ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 159657-36-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | XLQXDRKONKJVRW-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate (CAS 159657-36-0), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate
Property Insights of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate?
The CAS number of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate is 159657-36-0.
What is the molecular formula of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate?
The molecular formula of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate is C14H17NO5.
What is the molecular weight of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate?
The molecular weight of Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate is 279.11 g/mol.
Where can I buy Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate?
You can request a quote for Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-ethoxy-3-oxopropanoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.